N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide

C13H16N2O2S2 — CID 43550595

IUPACN-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(N)ccc(C)c2C)s1
InChIInChI=1S/C13H16N2O2S2/c1-8-4-6-11(14)13(10(8)3)15-19(16,17)12-7-5-9(2)18-12/h4-7,15H,14H2,1-3H3
InChIKeyQGGHZJCXKNURDH-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.06
Rot. Bonds3

About N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide

N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide (PubChem CID 43550595) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide
PubChem CID43550595
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(N)ccc(C)c2C)s1
InChIInChI=1S/C13H16N2O2S2/c1-8-4-6-11(14)13(10(8)3)15-19(16,17)12-7-5-9(2)18-12/h4-7,15H,14H2,1-3H3
InChIKeyQGGHZJCXKNURDH-UHFFFAOYSA-N
XLogP3.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene
CID 114958678
N-(2-aminophenyl)-5-methylthiophene-2-sulfonamide
CID 28783373
N-(4-amino-2-methylphenyl)-5-methylthiophene-2-sulfonamide
CID 28783297
N-(6-amino-2,3-dimethylphenyl)-2-methylpropane-2-sulfonamide
CID 55233609
N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929809
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide
CID 104826570
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 43550425
N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide
CID 43550582
N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide
CID 43550604
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide (CID 43550595) is N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2c(N)ccc(C)c2C)s1.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is QGGHZJCXKNURDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-8-4-6-11(14)13(10(8)3)15-19(16,17)12-7-5-9(2)18-12/h4-7,15H,14H2,1-3H3.
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide?
N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 296.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 43550595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).